N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C124H143Cl3F6N26O16S6 — CID 158861026

About N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 158861026) has the molecular formula C124H143Cl3F6N26O16S6 and a molecular weight of 2666.42 g/mol. Its IUPAC name is N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 158861026
• Molecular Formula: C124H143Cl3F6N26O16S6
• Molecular Weight: 2666.42 g/mol
• Exact Mass: 2662.85
• IUPAC Name: N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: C=S(=O)(c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(Cl)c1)C(C)C.C=S(C)c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(Cl)c1.CCn1c(=O)c(-c2nccn2S(=O)(=O)CCOC)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.O=c1c(-c2ccc(S(=O)(=O)C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1Cc1ccccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C35H42Cl2N6O4S2.C35H29F6N5O4S.C28H32ClN7O4S2.C26H32N8O4S.4H2/c1-22(2)48(4,45)28-18-30(36)32(31(37)19-28)29-17-25-20-38-35(39-26-10-8-23(9-11-26)24-7-6-14-41(3)21-24)40-33(25)43(34(29)44)27-12-15-42(16-13-27)49(5,46)47;36-34(37,38)28-4-2-1-3-21(28)19-46-31-22(17-43-33(45-31)44-23-7-5-20(6-8-23)30-18-42-13-14-50-30)15-27(32(46)47)26-12-11-25(16-29(26)35(39,40)41)51(48,49)24-9-10-24;1-35(42(4,38)39)11-12-36-26-18(13-23(27(36)37)25-24(29)14-22(17-31-25)41(2)3)15-32-28(34-26)33-19-5-7-20(8-6-19)40-21-9-10-30-16-21;1-4-33-23-19(17-22(25(33)35)24-27-9-10-34(24)39(36,37)16-15-38-3)18-28-26(30-23)29-20-5-7-21(8-6-20)32-13-11-31(2)12-14-32;;;;/h8-11,17-20,22,24,27H,4,6-7,12-16,21H2,1-3,5H3,(H,38,39,40);1-8,11-12,15-17,24,30,42H,9-10,13-14,18-19H2,(H,43,44,45);5-8,13-15,17,21,30H,2,9-12,16H2,1,3-4H3,(H,32,33,34);5-10,17-18H,4,11-16H2,1-3H3,(H,28,29,30);4*1H
• InChIKey: JAQQOXYQPHYJDJ-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 491.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.42
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 158861026) is N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is C=S(=O)(c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(Cl)c1)C(C)C.C=S(C)c1cnc(-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(Cl)c1.CCn1c(=O)c(-c2nccn2S(=O)(=O)CCOC)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.O=c1c(-c2ccc(S(=O)(=O)C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1Cc1ccccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is JAQQOXYQPHYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42Cl2N6O4S2.C35H29F6N5O4S.C28H32ClN7O4S2.C26H32N8O4S.4H2/c1-22(2)48(4,45)28-18-30(36)32(31(37)19-28)29-17-25-20-38-35(39-26-10-8-23(9-11-26)24-7-6-14-41(3)21-24)40-33(25)43(34(29)44)27-12-15-42(16-13-27)49(5,46)47;36-34(37,38)28-4-2-1-3-21(28)19-46-31-22(17-43-33(45-31)44-23-7-5-20(6-8-23)30-18-42-13-14-50-30)15-27(32(46)47)26-12-11-25(16-29(26)35(39,40)41)51(48,49)24-9-10-24;1-35(42(4,38)39)11-12-36-26-18(13-23(27(36)37)25-24(29)14-22(17-31-25)41(2)3)15-32-28(34-26)33-19-5-7-20(8-6-19)40-21-9-10-30-16-21;1-4-33-23-19(17-22(25(33)35)24-27-9-10-34(24)39(36,37)16-15-38-3)18-28-26(30-23)29-20-5-7-21(8-6-20)32-13-11-31(2)12-14-32;;;;/h8-11,17-20,22,24,27H,4,6-7,12-16,21H2,1-3,5H3,(H,38,39,40);1-8,11-12,15-17,24,30,42H,9-10,13-14,18-19H2,(H,43,44,45);5-8,13-15,17,21,30H,2,9-12,16H2,1,3-4H3,(H,32,33,34);5-10,17-18H,4,11-16H2,1-3H3,(H,28,29,30);4*1H.

What are the key properties of N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2666.42 g/mol, XLogP of 19.83, 35 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[3-chloro-5-[methyl(methylidene)-λ4-sulfanyl]-2-pyridinyl]-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[1-(2-methoxyethylsulfonyl)imidazol-2-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 158861026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).